CID 55280153

2-cyano-5-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₃ClFNO₂S

SMILES

C1=CC(=C(C=C1F)S(=O)(=O)Cl)C#N

InChI

InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-3-6(9)2-1-5(7)4-10/h1-3H

InChIKey

WGFLZPKSPVMZOA-UHFFFAOYSA-N

Compound name

2-cyano-5-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 218.9557 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.96298	136.6
[M+Na]+	241.94492	148.7
[M+NH4]+	236.98952	141.0
[M+K]+	257.91886	138.5
[M-H]-	217.94842	129.2
[M+Na-2H]-	239.93037	140.0
[M]+	218.95515	136.0
[M]-	218.95625	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe